3-methyl-1H-1,2,4-triazole-5-carboxamide

Base Information

• Chemical Name: 3-methyl-1H-1,2,4-triazole-5-carboxamide
• CAS No.: 31100-32-0
• Molecular Formula: C4H6N4O
• Molecular Weight: 126.11700
• DSSTox Substance ID: DTXSID80481050
• Wikidata: Q82316254
• Mol file: 31100-32-0.mol

Synonyms:3-methyl-1H-1,2,4-triazole-5-carboxamide;31100-32-0;5-Methyl-1H-1,2,4-triazole-3-carboxamide;SCHEMBL2825844;SCHEMBL19691214;DTXSID80481050;ZPNCOOJXSBCCQR-UHFFFAOYSA-N;AKOS006338698;5-methyl-1,2,4-triazole-3-carboxamide;CS-0223738;1H-1,2,4-Triazole-5-carboxamide, 3-methyl-;EN300-116525;Z1507503092

Chemical Property of 3-methyl-1H-1,2,4-triazole-5-carboxamide

Chemical Property:

• Boiling Point: 395.4±25.0 °C(Predicted)
• PSA: 84.66000
• Density: 1.414±0.06 g/cm3(Predicted)
• LogP: -0.08770
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.05416083
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

3-methyl-1H-1,2,4-triazole-5-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NN1)C(=O)N

Technology Process of 3-methyl-1H-1,2,4-triazole-5-carboxamide

There total 4 articles about 3-methyl-1H-1,2,4-triazole-5-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

5-Methyl-1,2,4-triazol-3-carbonsaeureethylester (40253-47-2) → 5-methyl-1H-1,2,4-triazole-3-carboxamide (31100-32-0)

Guidance literature:

With ammonium hydroxide; In water monomer; at 50 ℃; for 24h;

DOI:10.1007/s10593-022-03064-z

Reference yield:

→ 3-Methyl-1,2,4-triazol-5-carboxamid (31100-32-0)

Guidance literature:

Ester 6a, NH3;

Reference yield:

→ 5-methyl-1H-1,2,4-triazole-3-carboxamide (31100-32-0)

Guidance literature:

Ester 6a, NH3;

upstream raw materials:

5-Methyl-1,2,4-triazol-3-carbonsaeureethylester

Downstream raw materials:

1-(3-bromobenzyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

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